Geometry & MOs

Info

ID:	223603
PubChem CID:	85335297
Reduced:	NF2O2H10C11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	452.209993
ΔH_f, kcal/mol:	-302.23
Dipole, Da:	3.52
IP(EA), eV:	-9.65(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[1-hydroxy-2-[2-[4-(3-phenylanilino)phenyl]ethylamino]ethyl]benzaldehyde

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C2=C(C(=CC=C2)F)C(=O)OC)F)NC(=O)C3(CC3)NC(=O)C(F)F

DOS

IR

Vibrations